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Chemical ID: 5133169
Chemical ID:
5133169
Name [?]:
6-ethyl-1H-indole-2-carboxylic acid
SMILES [?]:
CCc1ccc2cc([nH]c2c1)C(=O)O
InChi [?]:
InChI=1/C11H11NO2/c1-2-7-3-4-8-6-10(11(13)14)12-9(8)5-7/h3-6,12H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,11,7,3,6,10,8,12,9,13,14/E:(13,14)/rA:14nCCCCCCCCNCCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;d3s10;s8;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47944 |
Area: | 363.589 |
Solvation: | -1.61028 |
Coulombic: | -40.542 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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